1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide

C22H35N3O2 — CID 136577033

IUPAC1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)NCC2CC2)C1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35N3O2/c26-20(24-21-18-7-15-6-16(9-18)10-19(21)8-15)13-25-5-1-2-17(12-25)22(27)23-11-14-3-4-14/h14-19,21H,1-13H2,(H,23,27)(H,24,26)
InChIKeyNYJUZHRQJCOFPI-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.17
Rot. Bonds6

About 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide

1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (PubChem CID 136577033) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
PubChem CID136577033
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)NCC2CC2)C1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H35N3O2/c26-20(24-21-18-7-15-6-16(9-18)10-19(21)8-15)13-25-5-1-2-17(12-25)22(27)23-11-14-3-4-14/h14-19,21H,1-13H2,(H,23,27)(H,24,26)
InChIKeyNYJUZHRQJCOFPI-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide
CID 124786889
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
N-(cyclopropylmethyl)-1-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]piperidine-3-carboxamide
CID 87014329
N-(cyclopropylmethyl)-1-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 87017442
N-[1-[2-(2-adamantylamino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 136576852
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethyl]piperidine-3-carboxamide
CID 124786781
N-(cyclopropylmethyl)-1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-3-carboxamide
CID 55841784

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide (CID 136577033) is 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is O=C(CN1CCCC(C(=O)NCC2CC2)C1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The InChIKey is NYJUZHRQJCOFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c26-20(24-21-18-7-15-6-16(9-18)10-19(21)8-15)13-25-5-1-2-17(12-25)22(27)23-11-14-3-4-14/h14-19,21H,1-13H2,(H,23,27)(H,24,26).
What are the key properties of 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide?
1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 136577033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).