piperidin-4-ylmethylurea

C7H15N3O — CID 19081831

IUPACpiperidin-4-ylmethylurea
SMILESNC(=O)NCC1CCNCC1
InChIInChI=1S/C7H15N3O/c8-7(11)10-5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyDTZYYZWYSRPUGM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.35
Rot. Bonds2

About piperidin-4-ylmethylurea

piperidin-4-ylmethylurea (PubChem CID 19081831) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is piperidin-4-ylmethylurea.

Molecular Properties

Compound Namepiperidin-4-ylmethylurea
PubChem CID19081831
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Namepiperidin-4-ylmethylurea
SMILESNC(=O)NCC1CCNCC1
InChIInChI=1S/C7H15N3O/c8-7(11)10-5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKeyDTZYYZWYSRPUGM-UHFFFAOYSA-N
XLogP-0.35
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(Piperidin-3-ylmethyl)urea
CID 20115193
[(Piperidin-4-yl)methyl]urea dihydrochloride
CID 45792244
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
3-(Aminomethyl)piperidine-1-carboxamide
CID 21930998
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3-(Aminomethyl)piperidine-1-carboxamide hydrochloride
CID 119031368
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
4-(2-Aminoethyl)piperidine-1-carboxamide
CID 21066091
N-(2-methylpropyl)piperidine-1-carboxamide
CID 57968838
3-Methyl-1-[(piperidin-4-yl)methyl]urea
CID 81907473
3-fluoro-N,4-dimethylpiperidine-1-carboxamide
CID 130720757

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethylurea?
The IUPAC name of piperidin-4-ylmethylurea (CID 19081831) is piperidin-4-ylmethylurea.
What is the SMILES notation for piperidin-4-ylmethylurea?
The canonical SMILES for piperidin-4-ylmethylurea is NC(=O)NCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethylurea?
The InChIKey is DTZYYZWYSRPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-7(11)10-5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H3,8,10,11).
What are the key properties of piperidin-4-ylmethylurea?
piperidin-4-ylmethylurea has a molecular weight of 157.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethylurea is sourced from PubChem (CID 19081831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).