1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride

C19H29ClN4O2 — CID 119728830

IUPAC1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
SMILESCl.O=C(NCC1CCCCN1C(=O)CC1CCCN1)Nc1ccccc1
InChIInChI=1S/C19H28N4O2.ClH/c24-18(13-16-9-6-11-20-16)23-12-5-4-10-17(23)14-21-19(25)22-15-7-2-1-3-8-15;/h1-3,7-8,16-17,20H,4-6,9-14H2,(H2,21,22,25);1H
InChIKeyVFZAVLWTHKAUGH-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.75
Rot. Bonds5

About 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride

1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride (PubChem CID 119728830) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
PubChem CID119728830
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
SMILESCl.O=C(NCC1CCCCN1C(=O)CC1CCCN1)Nc1ccccc1
InChIInChI=1S/C19H28N4O2.ClH/c24-18(13-16-9-6-11-20-16)23-12-5-4-10-17(23)14-21-19(25)22-15-7-2-1-3-8-15;/h1-3,7-8,16-17,20H,4-6,9-14H2,(H2,21,22,25);1H
InChIKeyVFZAVLWTHKAUGH-UHFFFAOYSA-N
XLogP2.75
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
CID 119765949
1-[[1-[4-(methylamino)butanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728803
1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728833
1-[[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 86881246
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
CID 66260760
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
1-(4-fluorophenyl)-3-[[1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 10224695
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
CID 61409850
N-(2-anilino-2-oxoethyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364850

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride?
The IUPAC name of 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride (CID 119728830) is 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride.
What is the SMILES notation for 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride?
The canonical SMILES for 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride is Cl.O=C(NCC1CCCCN1C(=O)CC1CCCN1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride?
The InChIKey is VFZAVLWTHKAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c24-18(13-16-9-6-11-20-16)23-12-5-4-10-17(23)14-21-19(25)22-15-7-2-1-3-8-15;/h1-3,7-8,16-17,20H,4-6,9-14H2,(H2,21,22,25);1H.
What are the key properties of 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride?
1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride is sourced from PubChem (CID 119728830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).