N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine

C21H29N7 — CID 141355599

IUPACN-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine
SMILESc1cc2c(n1)ncc1cncn(C3CCN(CCNC4CCNCC4)CC3)c12
InChIInChI=1S/C21H29N7/c1-6-22-7-2-17(1)24-9-12-27-10-4-18(5-11-27)28-15-23-13-16-14-26-21-19(20(16)28)3-8-25-21/h3,8,13-15,17-18,22,24H,1-2,4-7,9-12H2
InChIKeyUMRWCOKTRKSPLC-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.96
Rot. Bonds5

About N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine

N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine (PubChem CID 141355599) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine
PubChem CID141355599
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC NameN-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine
SMILESc1cc2c(n1)ncc1cncn(C3CCN(CCNC4CCNCC4)CC3)c12
InChIInChI=1S/C21H29N7/c1-6-22-7-2-17(1)24-9-12-27-10-4-18(5-11-27)28-15-23-13-16-14-26-21-19(20(16)28)3-8-25-21/h3,8,13-15,17-18,22,24H,1-2,4-7,9-12H2
InChIKeyUMRWCOKTRKSPLC-UHFFFAOYSA-N
XLogP1.96
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine with MolForge

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Related Compounds

1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(4,4,4-trifluorobut-1-en-2-yl)piperidin-3-amine
CID 137230004
6-Piperidin-4-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene
CID 91510263
1-(5,7,10,12-Tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 136418822
6-Methyl-1-(11-methyl-5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 136419331
1-(11-Methyl-5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 136493285
1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine
CID 136493550
1-(5,7,8,10-Tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 137150274
N-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-amine
CID 137211035
N-pentyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-amine
CID 137229971
(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine
CID 143464867
1-[(3R,4R)-4-methylpiperidin-3-yl]pyrrolo[2,3-h][1,6]naphthyridine
CID 153940227

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine?
The IUPAC name of N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine (CID 141355599) is N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine is c1cc2c(n1)ncc1cncn(C3CCN(CCNC4CCNCC4)CC3)c12.
What is the InChIKey of N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine?
The InChIKey is UMRWCOKTRKSPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-6-22-7-2-17(1)24-9-12-27-10-4-18(5-11-27)28-15-23-13-16-14-26-21-19(20(16)28)3-8-25-21/h3,8,13-15,17-18,22,24H,1-2,4-7,9-12H2.
What are the key properties of N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine?
N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine has a molecular weight of 379.51 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,5,7,9,11-hexaen-13-yl)piperidin-1-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 141355599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).