1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea

C14H29N5O — CID 117235828

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
SMILESCN1CCN(CCNC(=O)NCC2CCCCN2)CC1
InChIInChI=1S/C14H29N5O/c1-18-8-10-19(11-9-18)7-6-16-14(20)17-12-13-4-2-3-5-15-13/h13,15H,2-12H2,1H3,(H2,16,17,20)
InChIKeyVOCRKDNDHXHYIZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP-0.32
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea

1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea (PubChem CID 117235828) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
PubChem CID117235828
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
SMILESCN1CCN(CCNC(=O)NCC2CCCCN2)CC1
InChIInChI=1S/C14H29N5O/c1-18-8-10-19(11-9-18)7-6-16-14(20)17-12-13-4-2-3-5-15-13/h13,15H,2-12H2,1H3,(H2,16,17,20)
InChIKeyVOCRKDNDHXHYIZ-UHFFFAOYSA-N
XLogP-0.32
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 60717706
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
1-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-3-[2-[(2S)-piperidin-2-yl]ethyl]urea
CID 126434100
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-piperidin-3-ylurea
CID 117235825
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79539939
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234833
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea (CID 117235828) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea is CN1CCN(CCNC(=O)NCC2CCCCN2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea?
The InChIKey is VOCRKDNDHXHYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-18-8-10-19(11-9-18)7-6-16-14(20)17-12-13-4-2-3-5-15-13/h13,15H,2-12H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea?
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea has a molecular weight of 283.42 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 117235828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).