N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

C21H39N7O — CID 25284166

IUPACN-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(CCN(C)C)C2CCCC2)CC1
InChIInChI=1S/C21H39N7O/c1-18-10-13-26(14-11-18)17-20-22-23-24-28(20)12-6-9-21(29)27(16-15-25(2)3)19-7-4-5-8-19/h18-19H,4-17H2,1-3H3
InChIKeyPUBKHCKZXPSZPY-UHFFFAOYSA-N
MW405.59 g/mol
LogP2.02
Rot. Bonds10

About N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (PubChem CID 25284166) has the molecular formula C21H39N7O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
PubChem CID25284166
Molecular FormulaC21H39N7O
Molecular Weight405.59 g/mol
Exact Mass405.32
IUPAC NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(CCN(C)C)C2CCCC2)CC1
InChIInChI=1S/C21H39N7O/c1-18-10-13-26(14-11-18)17-20-22-23-24-28(20)12-6-9-21(29)27(16-15-25(2)3)19-7-4-5-8-19/h18-19H,4-17H2,1-3H3
InChIKeyPUBKHCKZXPSZPY-UHFFFAOYSA-N
XLogP2.02
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide (CID 25284166) is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The canonical SMILES for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N(CCN(C)C)C2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
The InChIKey is PUBKHCKZXPSZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N7O/c1-18-10-13-26(14-11-18)17-20-22-23-24-28(20)12-6-9-21(29)27(16-15-25(2)3)19-7-4-5-8-19/h18-19H,4-17H2,1-3H3.
What are the key properties of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide?
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide has a molecular weight of 405.59 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide is sourced from PubChem (CID 25284166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).