N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide

C22H33N3O2 — CID 51953570

IUPACN-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
SMILESC[C@H]1CCCN(Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C22H33N3O2/c1-17-5-4-14-25(15-17)16-18-8-10-20(11-9-18)24-21(26)12-13-23-22(27)19-6-2-3-7-19/h8-11,17,19H,2-7,12-16H2,1H3,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyIABXXWBQBXXOJN-KRWDZBQOSA-N
MW371.53 g/mol
LogP3.55
Rot. Bonds7

About N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 51953570) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID51953570
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
SMILESC[C@H]1CCCN(Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C22H33N3O2/c1-17-5-4-14-25(15-17)16-18-8-10-20(11-9-18)24-21(26)12-13-23-22(27)19-6-2-3-7-19/h8-11,17,19H,2-7,12-16H2,1H3,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyIABXXWBQBXXOJN-KRWDZBQOSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47041448
2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119845048
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 55714823
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 56562998
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763
(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
CID 167859108
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
(2S)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94885506
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55798765

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide (CID 51953570) is N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide is C[C@H]1CCCN(Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)C1.
What is the InChIKey of N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is IABXXWBQBXXOJN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-5-4-14-25(15-17)16-18-8-10-20(11-9-18)24-21(26)12-13-23-22(27)19-6-2-3-7-19/h8-11,17,19H,2-7,12-16H2,1H3,(H,23,27)(H,24,26)/t17-/m0/s1.
What are the key properties of N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 51953570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).