N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide

C22H33N3O2 — CID 60562956

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NCC(c2cccc(OC)c2)N(CC)CC)CC1
InChIInChI=1S/C22H33N3O2/c1-5-13-24-14-11-18(12-15-24)22(26)23-17-21(25(6-2)7-3)19-9-8-10-20(16-19)27-4/h1,8-10,16,18,21H,6-7,11-15,17H2,2-4H3,(H,23,26)
InChIKeyNPCWORPDKGKWQR-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.54
Rot. Bonds9

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 60562956) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID60562956
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)NCC(c2cccc(OC)c2)N(CC)CC)CC1
InChIInChI=1S/C22H33N3O2/c1-5-13-24-14-11-18(12-15-24)22(26)23-17-21(25(6-2)7-3)19-9-8-10-20(16-19)27-4/h1,8-10,16,18,21H,6-7,11-15,17H2,2-4H3,(H,23,26)
InChIKeyNPCWORPDKGKWQR-UHFFFAOYSA-N
XLogP2.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119837688
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 166217159
N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092869
3-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55836468
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 30750639
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55566611
N-[2-[[N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927620
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide
CID 166183209
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022
1-(1,3-benzoxazol-2-yl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 42059906

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide (CID 60562956) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)NCC(c2cccc(OC)c2)N(CC)CC)CC1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is NPCWORPDKGKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-5-13-24-14-11-18(12-15-24)22(26)23-17-21(25(6-2)7-3)19-9-8-10-20(16-19)27-4/h1,8-10,16,18,21H,6-7,11-15,17H2,2-4H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 60562956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).