4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

C15H29N3O — CID 43748777

IUPAC4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCCN1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-9-18-10-7-14(8-11-18)17-13-5-3-12(4-6-13)15(16)19/h12-14,17H,2-11H2,1H3,(H2,16,19)
InChIKeyRQURJNCQLZIBHM-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds5

About 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 43748777) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID43748777
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCCN1CCC(NC2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-2-9-18-10-7-14(8-11-18)17-13-5-3-12(4-6-13)15(16)19/h12-14,17H,2-11H2,1H3,(H2,16,19)
InChIKeyRQURJNCQLZIBHM-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide (CID 43748777) is 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is CCCN1CCC(NC2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is RQURJNCQLZIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-9-18-10-7-14(8-11-18)17-13-5-3-12(4-6-13)15(16)19/h12-14,17H,2-11H2,1H3,(H2,16,19).
What are the key properties of 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylpiperidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 43748777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).