1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea

C19H28N4O2 — CID 119623367

IUPAC1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(21-19(25)22-17-5-3-2-4-6-17)18(24)23-11-9-16(10-12-23)20-13-15-7-8-15/h2-6,14-16,20H,7-13H2,1H3,(H2,21,22,25)
InChIKeyRVNVRUXAJODJOL-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.19
Rot. Bonds6

About 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea

1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea (PubChem CID 119623367) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
PubChem CID119623367
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
SMILESCC(NC(=O)Nc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(21-19(25)22-17-5-3-2-4-6-17)18(24)23-11-9-16(10-12-23)20-13-15-7-8-15/h2-6,14-16,20H,7-13H2,1H3,(H2,21,22,25)
InChIKeyRVNVRUXAJODJOL-UHFFFAOYSA-N
XLogP2.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119544633
1-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119544632
1-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 119411142
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119926842
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 119623462
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2R)-2-(phenylcarbamoylamino)propanoate
CID 30825149
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119623383
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119621964

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea (CID 119623367) is 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea is CC(NC(=O)Nc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea?
The InChIKey is RVNVRUXAJODJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(21-19(25)22-17-5-3-2-4-6-17)18(24)23-11-9-16(10-12-23)20-13-15-7-8-15/h2-6,14-16,20H,7-13H2,1H3,(H2,21,22,25).
What are the key properties of 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea?
1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea has a molecular weight of 344.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea is sourced from PubChem (CID 119623367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).