N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide

C23H44N4O3 — CID 75449606

IUPACN-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CC(O)CN2CCC(C(=O)NCCCC)CC2)CC1
InChIInChI=1S/C23H44N4O3/c1-3-5-11-24-22(29)19-7-13-26(14-8-19)17-21(28)18-27-15-9-20(10-16-27)23(30)25-12-6-4-2/h19-21,28H,3-18H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyHHZDTTRYCPKTJC-UHFFFAOYSA-N
MW424.63 g/mol
LogP1.60
Rot. Bonds12

About N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide

N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide (PubChem CID 75449606) has the molecular formula C23H44N4O3 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide
PubChem CID75449606
Molecular FormulaC23H44N4O3
Molecular Weight424.63 g/mol
Exact Mass424.34
IUPAC NameN-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(CC(O)CN2CCC(C(=O)NCCCC)CC2)CC1
InChIInChI=1S/C23H44N4O3/c1-3-5-11-24-22(29)19-7-13-26(14-8-19)17-21(28)18-27-15-9-20(10-16-27)23(30)25-12-6-4-2/h19-21,28H,3-18H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyHHZDTTRYCPKTJC-UHFFFAOYSA-N
XLogP1.60
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide (CID 75449606) is N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(CC(O)CN2CCC(C(=O)NCCCC)CC2)CC1.
What is the InChIKey of N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide?
The InChIKey is HHZDTTRYCPKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O3/c1-3-5-11-24-22(29)19-7-13-26(14-8-19)17-21(28)18-27-15-9-20(10-16-27)23(30)25-12-6-4-2/h19-21,28H,3-18H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide?
N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide has a molecular weight of 424.63 g/mol, XLogP of 1.60, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[3-[4-(butylcarbamoyl)piperidin-1-yl]-2-hydroxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 75449606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).