(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C17H31N7O — CID 70747482

IUPAC(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)C3(N)CCNCC3)C2)n1C
InChIInChI=1S/C17H31N7O/c1-22(2)12-14-20-21-15(23(14)3)13-5-4-10-24(11-13)16(25)17(18)6-8-19-9-7-17/h13,19H,4-12,18H2,1-3H3
InChIKeyVPEIBEOWWMYSHB-UHFFFAOYSA-N
MW349.48 g/mol
LogP-0.34
Rot. Bonds4

About (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70747482) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70747482
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)C3(N)CCNCC3)C2)n1C
InChIInChI=1S/C17H31N7O/c1-22(2)12-14-20-21-15(23(14)3)13-5-4-10-24(11-13)16(25)17(18)6-8-19-9-7-17/h13,19H,4-12,18H2,1-3H3
InChIKeyVPEIBEOWWMYSHB-UHFFFAOYSA-N
XLogP-0.34
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
CID 70731082
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
4-{3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-4-oxobutanamide
CID 70777373
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72936434
Sdccgsbi-0662590.P001
CID 118740478
N-methyl-2-{3-[4-methyl-5-(4-morpholinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-2-oxoethanamine dihydrochloride
CID 70772697
1-[(4-{4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)carbonyl]cyclopropanamine
CID 72895401
N-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134791242

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70747482) is (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CN(C)Cc1nnc(C2CCCN(C(=O)C3(N)CCNCC3)C2)n1C.
What is the InChIKey of (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is VPEIBEOWWMYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-22(2)12-14-20-21-15(23(14)3)13-5-4-10-24(11-13)16(25)17(18)6-8-19-9-7-17/h13,19H,4-12,18H2,1-3H3.
What are the key properties of (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 349.48 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-4-yl)-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70747482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).