3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide

C10H18ClN3O2 — CID 43373716

IUPAC3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
SMILESCN1CCC(NC(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-14-6-3-8(4-7-14)12-10(16)13-9(15)2-5-11/h8H,2-7H2,1H3,(H2,12,13,15,16)
InChIKeyKKSUNNKEUSNTIO-UHFFFAOYSA-N
MW247.73 g/mol
LogP0.54
Rot. Bonds3

About 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide

3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide (PubChem CID 43373716) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
PubChem CID43373716
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
SMILESCN1CCC(NC(=O)NC(=O)CCCl)CC1
InChIInChI=1S/C10H18ClN3O2/c1-14-6-3-8(4-7-14)12-10(16)13-9(15)2-5-11/h8H,2-7H2,1H3,(H2,12,13,15,16)
InChIKeyKKSUNNKEUSNTIO-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-Tert-butyl-5-chloro-6-methyldihydro-2,4(1H,3H)-pyrimidinedione
CID 3878530
N-(methylcarbamoyl)-3-piperidin-1-ylpropanamide
CID 47022218
5-Chloro-1-pentyl-1,3-diazinane-2,4,6-trione
CID 285566
3-(4-Acetamidopiperidinyl)-1-chloropropane
CID 21250989
N-(2-Chloroethyl)-N'-(1-methylpiperidin-4-yl)urea
CID 21483630
1-[1-(3-Chloropropyl)piperidin-4-yl]-3-ethylurea
CID 54286811
3-Pentyl-1,3-diazinane-2,4-dione
CID 70375031
3-Methyl-1-piperidin-4-yl-1,3-diazinane-2,4-dione;hydrochloride
CID 70594390
6-Chloro-3-cyclohexyl-1,3-diazinane-2,4-dione
CID 77534296
1-Pentan-2-yl-1,3-diazinane-2,4-dione
CID 79777248
1-Hexan-2-yl-1,3-diazinane-2,4-dione
CID 79777920
2,2-dimethyl-N-(piperidin-4-ylcarbamoyl)propanamide
CID 140147018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide (CID 43373716) is 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide is CN1CCC(NC(=O)NC(=O)CCCl)CC1.
What is the InChIKey of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
The InChIKey is KKSUNNKEUSNTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-14-6-3-8(4-7-14)12-10(16)13-9(15)2-5-11/h8H,2-7H2,1H3,(H2,12,13,15,16).
What are the key properties of 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide?
3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide has a molecular weight of 247.73 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide is sourced from PubChem (CID 43373716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).