N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride

C21H30ClN3O3 — CID 119624774

IUPACN-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCC(=O)N2CCC(NCC3CC3)CC2)c1)C1CC1
InChIInChI=1S/C21H29N3O3.ClH/c25-20(24-10-8-17(9-11-24)22-13-15-4-5-15)14-27-19-3-1-2-18(12-19)23-21(26)16-6-7-16;/h1-3,12,15-17,22H,4-11,13-14H2,(H,23,26);1H
InChIKeyOGFHFYMFAUVRQJ-UHFFFAOYSA-N
MW407.94 g/mol
LogP2.83
Rot. Bonds8

About N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride

N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119624774) has the molecular formula C21H30ClN3O3 and a molecular weight of 407.94 g/mol. Its IUPAC name is N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119624774
Molecular FormulaC21H30ClN3O3
Molecular Weight407.94 g/mol
Exact Mass407.20
IUPAC NameN-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(OCC(=O)N2CCC(NCC3CC3)CC2)c1)C1CC1
InChIInChI=1S/C21H29N3O3.ClH/c25-20(24-10-8-17(9-11-24)22-13-15-4-5-15)14-27-19-3-1-2-18(12-19)23-21(26)16-6-7-16;/h1-3,12,15-17,22H,4-11,13-14H2,(H,23,26);1H
InChIKeyOGFHFYMFAUVRQJ-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 119624305
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
CID 55633395
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616045
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethylphenoxy)ethanone;hydrochloride
CID 119622083
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride (CID 119624774) is N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride is Cl.O=C(Nc1cccc(OCC(=O)N2CCC(NCC3CC3)CC2)c1)C1CC1.
What is the InChIKey of N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is OGFHFYMFAUVRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3.ClH/c25-20(24-10-8-17(9-11-24)22-13-15-4-5-15)14-27-19-3-1-2-18(12-19)23-21(26)16-6-7-16;/h1-3,12,15-17,22H,4-11,13-14H2,(H,23,26);1H.
What are the key properties of N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 407.94 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119624774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).