[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea

C18H26N4O3 — CID 96500816

IUPAC[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea
SMILESNC(=O)NCc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1
InChIInChI=1S/C18H26N4O3/c19-18(25)20-12-13-4-6-14(7-5-13)17(24)22-10-8-21(9-11-22)15-2-1-3-16(15)23/h4-7,15-16,23H,1-3,8-12H2,(H3,19,20,25)/t15-,16-/m0/s1
InChIKeyMWWPRKYPRIKJGW-HOTGVXAUSA-N
MW346.43 g/mol
LogP0.53
Rot. Bonds4

About [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea

[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea (PubChem CID 96500816) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea
PubChem CID96500816
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea
SMILESNC(=O)NCc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1
InChIInChI=1S/C18H26N4O3/c19-18(25)20-12-13-4-6-14(7-5-13)17(24)22-10-8-21(9-11-22)15-2-1-3-16(15)23/h4-7,15-16,23H,1-3,8-12H2,(H3,19,20,25)/t15-,16-/m0/s1
InChIKeyMWWPRKYPRIKJGW-HOTGVXAUSA-N
XLogP0.53
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95759214
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486
[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 79029145
[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
CID 25492389
2-[1-[4-[(carbamoylamino)methyl]benzoyl]azetidin-3-yl]acetic acid
CID 64604965
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
1,3-dihydro-2-benzofuran-5-yl-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500781
3-[(2S)-1-[4-[(carbamoylamino)methyl]benzoyl]piperidin-2-yl]propanoic acid
CID 125118220
(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 97010440

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea?
The IUPAC name of [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea (CID 96500816) is [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea.
What is the SMILES notation for [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea?
The canonical SMILES for [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea is NC(=O)NCc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1.
What is the InChIKey of [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea?
The InChIKey is MWWPRKYPRIKJGW-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-18(25)20-12-13-4-6-14(7-5-13)17(24)22-10-8-21(9-11-22)15-2-1-3-16(15)23/h4-7,15-16,23H,1-3,8-12H2,(H3,19,20,25)/t15-,16-/m0/s1.
What are the key properties of [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea?
[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea has a molecular weight of 346.43 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea is sourced from PubChem (CID 96500816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).