1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide

C21H35N3O3 — CID 131931276

IUPAC1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCC(NC(=O)CCN1CCC(C(N)=O)CC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H35N3O3/c1-14(20-9-15-8-16(10-20)12-21(27,11-15)13-20)23-18(25)4-7-24-5-2-17(3-6-24)19(22)26/h14-17,27H,2-13H2,1H3,(H2,22,26)(H,23,25)
InChIKeyFAQOAJIHZFNRJP-UHFFFAOYSA-N
MW377.53 g/mol
LogP1.41
Rot. Bonds6

About 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide

1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 131931276) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide
PubChem CID131931276
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide
SMILESCC(NC(=O)CCN1CCC(C(N)=O)CC1)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C21H35N3O3/c1-14(20-9-15-8-16(10-20)12-21(27,11-15)13-20)23-18(25)4-7-24-5-2-17(3-6-24)19(22)26/h14-17,27H,2-13H2,1H3,(H2,22,26)(H,23,25)
InChIKeyFAQOAJIHZFNRJP-UHFFFAOYSA-N
XLogP1.41
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[1-(3-hydroxy-1-adamantyl)ethyl]acetamide
CID 131947274
N-[1-(3-hydroxy-1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 56754877
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585
N-[1-(1-adamantyl)ethyl]-2-(carbamoylamino)acetamide
CID 18168654
N-[1-(1-adamantyl)ethyl]-3-bromopropanamide
CID 113385110
(5S,7S)-3-[(1R)-1-aminoethyl]adamantan-1-ol
CID 23309248
1-propylpiperidine-4-carboxamide
CID 18678413
1-(3,3-dimethylbutyl)piperidine-4-carboxamide
CID 20792956
2,2,2-trifluoroethyl 4-[[(1S)-1-(1-adamantyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 38299370
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide (CID 131931276) is 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide is CC(NC(=O)CCN1CCC(C(N)=O)CC1)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is FAQOAJIHZFNRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-14(20-9-15-8-16(10-20)12-21(27,11-15)13-20)23-18(25)4-7-24-5-2-17(3-6-24)19(22)26/h14-17,27H,2-13H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide?
1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3-hydroxy-1-adamantyl)ethylamino]-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 131931276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).