1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

C23H42N4O2 — CID 42881380

IUPAC1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)NCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O2/c1-2-3-7-22(28)27-17-10-21(11-18-27)26-15-8-20(9-16-26)23(29)24-12-19-25-13-5-4-6-14-25/h20-21H,2-19H2,1H3,(H,24,29)
InChIKeyKEXFOYWJCPDKSP-UHFFFAOYSA-N
MW406.62 g/mol
LogP2.48
Rot. Bonds8

About 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide

1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 42881380) has the molecular formula C23H42N4O2 and a molecular weight of 406.62 g/mol. Its IUPAC name is 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID42881380
Molecular FormulaC23H42N4O2
Molecular Weight406.62 g/mol
Exact Mass406.33
IUPAC Name1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCCCCC(=O)N1CCC(N2CCC(C(=O)NCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C23H42N4O2/c1-2-3-7-22(28)27-17-10-21(11-18-27)26-15-8-20(9-16-26)23(29)24-12-19-25-13-5-4-6-14-25/h20-21H,2-19H2,1H3,(H,24,29)
InChIKeyKEXFOYWJCPDKSP-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55931675
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980497
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 54039617

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide (CID 42881380) is 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is CCCCC(=O)N1CCC(N2CCC(C(=O)NCCN3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is KEXFOYWJCPDKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O2/c1-2-3-7-22(28)27-17-10-21(11-18-27)26-15-8-20(9-16-26)23(29)24-12-19-25-13-5-4-6-14-25/h20-21H,2-19H2,1H3,(H,24,29).
What are the key properties of 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide?
1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 406.62 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentanoylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).