N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide

C26H41N3O3 — CID 110160086

IUPACN-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C26H41N3O3/c30-24-10-13-26(22-7-3-1-4-8-22,12-9-23(24)29-17-19-32-20-18-29)21-27-25(31)11-16-28-14-5-2-6-15-28/h1,3-4,7-8,23-24,30H,2,5-6,9-21H2,(H,27,31)/t23-,24+,26+/m0/s1
InChIKeyAIWJHHUIAVKWMN-BFLUCZKCSA-N
MW443.63 g/mol
LogP2.55
Rot. Bonds7

About N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide

N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide (PubChem CID 110160086) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide
PubChem CID110160086
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC NameN-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C26H41N3O3/c30-24-10-13-26(22-7-3-1-4-8-22,12-9-23(24)29-17-19-32-20-18-29)21-27-25(31)11-16-28-14-5-2-6-15-28/h1,3-4,7-8,23-24,30H,2,5-6,9-21H2,(H,27,31)/t23-,24+,26+/m0/s1
InChIKeyAIWJHHUIAVKWMN-BFLUCZKCSA-N
XLogP2.55
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-3-pyrrolidin-1-ylpropanamide
CID 129456214
3-amino-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]propanamide
CID 110160064
2-cyclopropyl-N-[[(1S,4S,5S)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]acetamide
CID 110147441
N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-2-(oxan-4-yl)acetamide
CID 129454160
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
N-[[(1S,4S,5S)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-2-methoxyacetamide
CID 110159907
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]propanamide
CID 110159901
2-amino-N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 110160088
2-cyclopentyl-N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 129459554
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]cyclopentanecarboxamide
CID 129455850
5-ethyl-N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-1,2-oxazole-3-carboxamide
CID 110160051
N-[[(1R,4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)-1-phenylcycloheptyl]methyl]cyclobutanecarboxamide
CID 110159910

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide (CID 110160086) is N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@@H](N2CCOCC2)CC1.
What is the InChIKey of N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide?
The InChIKey is AIWJHHUIAVKWMN-BFLUCZKCSA-N. The full InChI is InChI=1S/C26H41N3O3/c30-24-10-13-26(22-7-3-1-4-8-22,12-9-23(24)29-17-19-32-20-18-29)21-27-25(31)11-16-28-14-5-2-6-15-28/h1,3-4,7-8,23-24,30H,2,5-6,9-21H2,(H,27,31)/t23-,24+,26+/m0/s1.
What are the key properties of N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide?
N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide has a molecular weight of 443.63 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,4R,5R)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 110160086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).