1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea

C14H26N4O — CID 138463249

IUPAC1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea
SMILESCNC(=O)NC1(CN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C14H26N4O/c1-15-13(19)16-14(4-5-14)11-18-8-6-17(7-9-18)10-12-2-3-12/h12H,2-11H2,1H3,(H2,15,16,19)
InChIKeyGCQKLWUVIPOLNN-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.48
Rot. Bonds5

About 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea

1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea (PubChem CID 138463249) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea
PubChem CID138463249
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea
SMILESCNC(=O)NC1(CN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C14H26N4O/c1-15-13(19)16-14(4-5-14)11-18-8-6-17(7-9-18)10-12-2-3-12/h12H,2-11H2,1H3,(H2,15,16,19)
InChIKeyGCQKLWUVIPOLNN-UHFFFAOYSA-N
XLogP0.48
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498556
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-(cyclopropylmethyl)-4-methoxycarbonylpiperidine-4-carboxylic acid
CID 165478570
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
CID 142326806
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
CID 134505539
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]propanoate
CID 60965667
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea?
The IUPAC name of 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea (CID 138463249) is 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea.
What is the SMILES notation for 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea?
The canonical SMILES for 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea is CNC(=O)NC1(CN2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea?
The InChIKey is GCQKLWUVIPOLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-15-13(19)16-14(4-5-14)11-18-8-6-17(7-9-18)10-12-2-3-12/h12H,2-11H2,1H3,(H2,15,16,19).
What are the key properties of 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea?
1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea has a molecular weight of 266.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea is sourced from PubChem (CID 138463249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).