1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide

C19H29N5O2 — CID 119890851

IUPAC1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C3(N)CCCC3)cc2)CC1
InChIInChI=1S/C19H29N5O2/c1-24-12-8-16(9-13-24)23-18(26)22-15-6-4-14(5-7-15)21-17(25)19(20)10-2-3-11-19/h4-7,16H,2-3,8-13,20H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyMGHMTTLNQCQKGQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.11
Rot. Bonds4

About 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide

1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide (PubChem CID 119890851) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
PubChem CID119890851
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C3(N)CCCC3)cc2)CC1
InChIInChI=1S/C19H29N5O2/c1-24-12-8-16(9-13-24)23-18(26)22-15-6-4-14(5-7-15)21-17(25)19(20)10-2-3-11-19/h4-7,16H,2-3,8-13,20H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyMGHMTTLNQCQKGQ-UHFFFAOYSA-N
XLogP2.11
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
CID 119890827
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
CID 119338734
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide (CID 119890851) is 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide is CN1CCC(NC(=O)Nc2ccc(NC(=O)C3(N)CCCC3)cc2)CC1.
What is the InChIKey of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
The InChIKey is MGHMTTLNQCQKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-24-12-8-16(9-13-24)23-18(26)22-15-6-4-14(5-7-15)21-17(25)19(20)10-2-3-11-19/h4-7,16H,2-3,8-13,20H2,1H3,(H,21,25)(H2,22,23,26).
What are the key properties of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119890851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).