N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide

C32H41N5O — CID 11191476

IUPACN-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ncccc12
InChIInChI=1S/C32H41N5O/c38-32(34-25-13-6-2-7-14-25)29-27-15-10-18-33-31(27)35-30(24-11-4-1-5-12-24)28(29)23-36-21-16-26(17-22-36)37-19-8-3-9-20-37/h1,4-5,10-12,15,18,25-26H,2-3,6-9,13-14,16-17,19-23H2,(H,34,38)
InChIKeyJZVQQHMBVUTCEK-UHFFFAOYSA-N
MW511.71 g/mol
LogP5.81
Rot. Bonds6

About N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide

N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide (PubChem CID 11191476) has the molecular formula C32H41N5O and a molecular weight of 511.71 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
PubChem CID11191476
Molecular FormulaC32H41N5O
Molecular Weight511.71 g/mol
Exact Mass511.33
IUPAC NameN-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ncccc12
InChIInChI=1S/C32H41N5O/c38-32(34-25-13-6-2-7-14-25)29-27-15-10-18-33-31(27)35-30(24-11-4-1-5-12-24)28(29)23-36-21-16-26(17-22-36)37-19-8-3-9-20-37/h1,4-5,10-12,15,18,25-26H,2-3,6-9,13-14,16-17,19-23H2,(H,34,38)
InChIKeyJZVQQHMBVUTCEK-UHFFFAOYSA-N
XLogP5.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide (CID 11191476) is N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide is O=C(NC1CCCCC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ncccc12.
What is the InChIKey of N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
The InChIKey is JZVQQHMBVUTCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O/c38-32(34-25-13-6-2-7-14-25)29-27-15-10-18-33-31(27)35-30(24-11-4-1-5-12-24)28(29)23-36-21-16-26(17-22-36)37-19-8-3-9-20-37/h1,4-5,10-12,15,18,25-26H,2-3,6-9,13-14,16-17,19-23H2,(H,34,38).
What are the key properties of N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide?
N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide has a molecular weight of 511.71 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 11191476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).