1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one

C20H29N3O2 — CID 120844579

IUPAC1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one
SMILESO=C1CNCCN1C1CCCN(Cc2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C20H29N3O2/c24-20-12-21-9-11-23(20)18-2-1-10-22(14-18)13-16-5-7-19(8-6-16)25-15-17-3-4-17/h5-8,17-18,21H,1-4,9-15H2
InChIKeyYGXPVECGRFKNLQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.87
Rot. Bonds6

About 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one

1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one (PubChem CID 120844579) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one
PubChem CID120844579
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one
SMILESO=C1CNCCN1C1CCCN(Cc2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C20H29N3O2/c24-20-12-21-9-11-23(20)18-2-1-10-22(14-18)13-16-5-7-19(8-6-16)25-15-17-3-4-17/h5-8,17-18,21H,1-4,9-15H2
InChIKeyYGXPVECGRFKNLQ-UHFFFAOYSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-methylquinolin-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844613
1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844631
3-methyl-6-[[3-(2-oxopiperazin-1-yl)piperidin-1-yl]methyl]-1,3-benzothiazol-2-one;hydrochloride
CID 120844616
1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844531
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
CID 120983046
1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844533
1-[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]piperazin-2-one;hydrochloride
CID 120844556
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
1-[1-(thiolan-3-ylmethyl)piperidin-3-yl]piperazin-2-one
CID 120844655
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-[1-[(1-methylcyclobutyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844641
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one (CID 120844579) is 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one is O=C1CNCCN1C1CCCN(Cc2ccc(OCC3CC3)cc2)C1.
What is the InChIKey of 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is YGXPVECGRFKNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20-12-21-9-11-23(20)18-2-1-10-22(14-18)13-16-5-7-19(8-6-16)25-15-17-3-4-17/h5-8,17-18,21H,1-4,9-15H2.
What are the key properties of 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one?
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 343.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 120844579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).