(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide

About (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide

(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide (PubChem CID 67193074) has the molecular formula C26H47N5O3 and a molecular weight of 477.69 g/mol. Its IUPAC name is (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name	(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide
PubChem CID	67193074
Molecular Formula	C26H47N5O3
Molecular Weight	477.69 g/mol
Exact Mass	477.37
IUPAC Name	(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide
SMILES	CNCC(CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2nccn2C)C1
InChI	InChI=1S/C26H47N5O3/c1-27-19-23(18-21-10-5-4-6-11-21)29-25(32)31-15-9-12-22(20-31)26(33,13-7-8-17-34-3)24-28-14-16-30(24)2/h14,16,21-23,27,33H,4-13,15,17-20H2,1-3H3,(H,29,32)/t22-,23?,26+/m1/s1
InChIKey	ZHCJGCRAFGJMMN-SATOSQONSA-N
XLogP	3.40
TPSA	91.65 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	12
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.69
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide?

The IUPAC name of (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide (CID 67193074) is (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide is CNCC(CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2nccn2C)C1.

What is the InChIKey of (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide?

The InChIKey is ZHCJGCRAFGJMMN-SATOSQONSA-N. The full InChI is InChI=1S/C26H47N5O3/c1-27-19-23(18-21-10-5-4-6-11-21)29-25(32)31-15-9-12-22(20-31)26(33,13-7-8-17-34-3)24-28-14-16-30(24)2/h14,16,21-23,27,33H,4-13,15,17-20H2,1-3H3,(H,29,32)/t22-,23?,26+/m1/s1.

What are the key properties of (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide?

(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide has a molecular weight of 477.69 g/mol, XLogP of 3.40, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-(1-methylimidazol-2-yl)pentyl]piperidine-1-carboxamide is sourced from PubChem (CID 67193074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).