[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone

C14H25N3O — CID 54872509

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H25N3O/c18-14(13-3-5-15-6-4-13)17-9-7-16(8-10-17)11-12-1-2-12/h12-13,15H,1-11H2
InChIKeyWYMCKCDRCMTOKN-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.54
Rot. Bonds3

About [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone

[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 54872509) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID54872509
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H25N3O/c18-14(13-3-5-15-6-4-13)17-9-7-16(8-10-17)11-12-1-2-12/h12-13,15H,1-11H2
InChIKeyWYMCKCDRCMTOKN-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone
CID 171641865
2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 54873622
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 120849271
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 124694194
N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60963961
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone (CID 54872509) is [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is WYMCKCDRCMTOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c18-14(13-3-5-15-6-4-13)17-9-7-16(8-10-17)11-12-1-2-12/h12-13,15H,1-11H2.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 251.37 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 54872509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).