N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide

C22H33N3O2 — CID 97204061

IUPACN-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C22H33N3O2/c26-21(19-7-5-18(6-8-19)20-4-3-11-23-16-20)24-22(9-1-2-10-22)17-25-12-14-27-15-13-25/h5-8,20,23H,1-4,9-17H2,(H,24,26)/t20-/m1/s1
InChIKeyGGOMHFZIGLODCZ-HXUWFJFHSA-N
MW371.53 g/mol
LogP2.53
Rot. Bonds5

About N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide

N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide (PubChem CID 97204061) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide
PubChem CID97204061
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C22H33N3O2/c26-21(19-7-5-18(6-8-19)20-4-3-11-23-16-20)24-22(9-1-2-10-22)17-25-12-14-27-15-13-25/h5-8,20,23H,1-4,9-17H2,(H,24,26)/t20-/m1/s1
InChIKeyGGOMHFZIGLODCZ-HXUWFJFHSA-N
XLogP2.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide?
The IUPAC name of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide (CID 97204061) is N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide is O=C(NC1(CN2CCOCC2)CCCC1)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide?
The InChIKey is GGOMHFZIGLODCZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21(19-7-5-18(6-8-19)20-4-3-11-23-16-20)24-22(9-1-2-10-22)17-25-12-14-27-15-13-25/h5-8,20,23H,1-4,9-17H2,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide?
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide has a molecular weight of 371.53 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97204061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).