N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride

C14H26ClN3O2 — CID 119299488

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCCN1)NC1CCCCC1
InChIInChI=1S/C14H25N3O2.ClH/c18-13(17-11-5-2-1-3-6-11)8-10-16-14(19)12-7-4-9-15-12;/h11-12,15H,1-10H2,(H,16,19)(H,17,18);1H
InChIKeyDEADHGQNSQJLLO-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.12
Rot. Bonds5

About N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119299488) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119299488
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCCN1)NC1CCCCC1
InChIInChI=1S/C14H25N3O2.ClH/c18-13(17-11-5-2-1-3-6-11)8-10-16-14(19)12-7-4-9-15-12;/h11-12,15H,1-10H2,(H,16,19)(H,17,18);1H
InChIKeyDEADHGQNSQJLLO-UHFFFAOYSA-N
XLogP1.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 83620464
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
N-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419759
N-[2-(cyclopropylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 43515304
N-[3-(cyclohexylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119299472
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119737566
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-[3-(cyclohexylamino)-3-oxopropyl]morpholine-2-carboxamide;hydrochloride
CID 119741950
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119299488) is N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)C1CCCN1)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DEADHGQNSQJLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c18-13(17-11-5-2-1-3-6-11)8-10-16-14(19)12-7-4-9-15-12;/h11-12,15H,1-10H2,(H,16,19)(H,17,18);1H.
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119299488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).