1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea

C19H30N4O2 — CID 119646975

IUPAC1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCCNCC1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-20-13-15-9-11-23(12-10-15)18(24)16-5-7-17(8-6-16)22-19(25)21-14(2)3/h5-8,14-15,20H,4,9-13H2,1-3H3,(H2,21,22,25)
InChIKeyKWEZNOBEYLXERG-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.68
Rot. Bonds6

About 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 119646975) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID119646975
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCCNCC1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2/c1-4-20-13-15-9-11-23(12-10-15)18(24)16-5-7-17(8-6-16)22-19(25)21-14(2)3/h5-8,14-15,20H,4,9-13H2,1-3H3,(H2,21,22,25)
InChIKeyKWEZNOBEYLXERG-UHFFFAOYSA-N
XLogP2.68
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 119178659
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-3-propan-2-ylurea;hydrochloride
CID 120814203
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119646571
[4-(1,3-dithian-2-yl)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645227
1-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-propan-2-ylurea
CID 120657026

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 119646975) is 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea is CCNCC1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1.
What is the InChIKey of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is KWEZNOBEYLXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-20-13-15-9-11-23(12-10-15)18(24)16-5-7-17(8-6-16)22-19(25)21-14(2)3/h5-8,14-15,20H,4,9-13H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 346.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 119646975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).