1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea

C20H30N4O3 — CID 146137682

IUPAC1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea
SMILESCc1ccc(C(=O)N2CCC(NC(=O)NCCN3CC[C@@H](O)C3)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-15-2-4-16(5-3-15)19(26)24-11-6-17(7-12-24)22-20(27)21-9-13-23-10-8-18(25)14-23/h2-5,17-18,25H,6-14H2,1H3,(H2,21,22,27)/t18-/m1/s1
InChIKeyNAXUZTKMZYVEEQ-GOSISDBHSA-N
MW374.49 g/mol
LogP0.97
Rot. Bonds5

About 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea

1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea (PubChem CID 146137682) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea
PubChem CID146137682
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea
SMILESCc1ccc(C(=O)N2CCC(NC(=O)NCCN3CC[C@@H](O)C3)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-15-2-4-16(5-3-15)19(26)24-11-6-17(7-12-24)22-20(27)21-9-13-23-10-8-18(25)14-23/h2-5,17-18,25H,6-14H2,1H3,(H2,21,22,27)/t18-/m1/s1
InChIKeyNAXUZTKMZYVEEQ-GOSISDBHSA-N
XLogP0.97
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea with MolForge

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Related Compounds

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
1-[1-(4-methylbenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
CID 154860556
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
CID 66611497
1-butyl-3-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]urea
CID 19778071
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea?
The IUPAC name of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea (CID 146137682) is 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea is Cc1ccc(C(=O)N2CCC(NC(=O)NCCN3CC[C@@H](O)C3)CC2)cc1.
What is the InChIKey of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea?
The InChIKey is NAXUZTKMZYVEEQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15-2-4-16(5-3-15)19(26)24-11-6-17(7-12-24)22-20(27)21-9-13-23-10-8-18(25)14-23/h2-5,17-18,25H,6-14H2,1H3,(H2,21,22,27)/t18-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea?
1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea has a molecular weight of 374.49 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea is sourced from PubChem (CID 146137682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).